Binding Residue

Peptide ID Weighted Score Bond Length

M_Protein Peptide
AVP0583 -1961.60 ARG105 SER15 1.847
ARG105 LEU14 2.180
ARG105 SER15 1.828
ARG107 VAL13 2.604
ARG107 ASP16 1.723
ARG107 SER15 1.756
MET1 TRP2 2.669
CYS33 TRP7 3.771
CYS33 TRP7 3.679
PHE37 CYS11 3.487
TRP20 TRP2 3.744
TRP20 TRP2 3.506
TRP20 TRP2 4.012
TRP20 TRP2 4.613
LEU29 LEU3 5.279
LEU34 ILE10 4.787
ILE97 ILE10 5.335
ARG107 VAL13 4.391
LEU29 TRP2 4.680

Binding Residue
Peptide ID Weighted Score Bond Length
M_Protein Peptide
AVP0584 -2024.50 SER4 ASP8 2.002
ARG107 SER1 1.976
ARG107 SER1 1.747
SER4 ARG4 1.748
SER4 ARG4 2.937
SER4 ARG4 1.809
MET1 CYS11 2.993
ASN21 LYS18 1.681
GLN19 LYS18 1.633
GLN19 LYS18 2.922
LEU29 PHE17 2.704
PHE37 TRP9 4.038
PHE37 TRP9 4.975
ALA2 CYS11 3.548
LEU29 LEU14 4.223
CYS33 VAL13 4.552
LEU34 ILE6 5.484
TRP20 LEU14 3.868
 TRP20 LEU14 4.023
TRP20 LYS18 4.906
HIS125 ILE10 4.393
LEU102 TRP2 5.320
ILE128 TRP7 4.517
ILE128 TRP7 4.889
CYS33 TRP9 5.353
ARG107 SER1 3.829

Binding Residue
Peptide ID Weighted Score Bond Length
M_Protein Peptide
AVP0587 -1979.50 ARG107 GLY2 3.030
ARG107 SER3 2.486
ARG107 GLY2 1.722
SER4 ARG6 2.294
ALA2 TRP9 2.859
ASN21 LYS20 1.774
GLN19 LYS20 1.990
GLN19 LYS20 1.794
TRP110 SER1 4.546
ALA2 CYS13 4.048
LEU29 LEU16 5.457
CYS33 VAL15 4.476
ARG107 LEU5 4.716
TRP20 LEU16 4.012
TRP20 LEU16 4.127
TRP20 LYS20 4.913
PHE37 ILE8 5.308
ARG107 TRP4 5.354
ILE97 TRP4 5.353
ARG107 TRP4 4.856
ALA2 TRP9 5.112
ILE8 TRP9 5.305
ILE128 TRP9 4.446
LEU29 PHE19 5.366
ARG107 SER1 4.627
ARG107 LEU5 2.158

Binding Residue
Peptide ID Weighted Score Bond Length
M_Protein Peptide
AVP0588 -2140.90 SER4 ASP9 1.873
ARG107 TRP3 1.872
SER4 ARG5 2.505
GLY126 TRP8 2.607
ASN21 LYS19 1.713
GLN19 LYS19 1.750
GLN19 LYS19 2.376
ARG107 TRP3 3.060
SER4 ARG5 2.772
TRP20 LEU15 2.767
TRP20 LEU15 2.767
CYS33 TRP10 5.262
PHE37 TRP10 4.036
PHE37 TRP10 5.484
ALA2 CYS12 3.988
CYS33 VAL14 4.284
ARG107 LEU4 5.198
TRP20 LYS19 4.916
HIS125 ILE11 5.396
ILE128 TRP8 4.044
LEU16 TRP8 5.145
ILE128 TRP8 4.767
ILE32 PHE18 5.285

Binding Residue
Peptide ID Weighted Score Bond Length
M_Protein Peptide
AVP0590 -2077.60 ARG107 ASP5 2.824
ARG107 ASP5 4.563
THR106 TRP2 1.946
MET1 LYS18 1.707
PHE37 GLU12 3.958
LEU29 PHE17 2.941
MET109 TRP2 5.671
TRP20 PHE17 4.672
TRP20 PHE17 4.091
TRP110 TRP2 4.416
TRP110 TRP2 4.584
ALA2 CYS11 4.416
ILE128 ILE10 5.144
TRP20 LEU14 4.350
TRP20 LEU14 5.390
TRP20 LYS18 5.428
HIS125 VAL13 5.206
ARG107 TRP2 5.076
MET109 TRP2 4.677
ARG107 TRP2 5.298
LEU34 TRP9 4.943
LEU34 TRP9 4.792
LEU29 TRP20 5.122
 Type Category

Conventional Hydrogen Bond Hydrogen Bond

Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Carbon Hydrogen Bond Hydrogen Bond
Pi-Donor Hydrogen Bond Hydrogen Bond
Pi-Donor Hydrogen Bond Hydrogen Bond
Pi-Sulfur Other
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Pi-Alkyl Hydrophobic

Type Category

Conventional Hydrogen Bond Hydrogen Bond

Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Pi-Sigma Hydrophobic
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Unfavorable Positive-Positive Unfavorable

Type Category

Conventional Hydrogen Bond Hydrogen Bond

Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Pi-Cation Electrostatic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Unfavorable Positive-Positive Unfavorable
Unfavorable Donor-Donor Unfavorable

Type Category
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Carbon Hydrogen Bond Hydrogen Bond
Carbon Hydrogen Bond Hydrogen Bond
Pi-Sigma Hydrophobic
Pi-Sigma Hydrophobic
Pi-Sulfur Other
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic

Type Category

Attractive Charge Electrostatic

Attractive Charge Electrostatic
Conventional Hydrogen Bond Hydrogen Bond
Conventional Hydrogen Bond Hydrogen Bond
Pi-Anion Electrostatic
Pi-Sigma Hydrophobic
Pi-Sulfur Other
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Pi-Pi Stacked Hydrophobic
Alkyl Hydrophobic
Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
Pi-Alkyl Hydrophobic
 Non Bond
AVP0583 AVP0584 AVP0587 AVP0588 AVP0590
Interaction
AC 2
Alkyl 4 4 4 3 2
CH-bond 6 10 8 7 2
H-bond 1 2
Pi-Alkyl 1 8 11 6 10
Pi-Anion 1
Pi-Cation 1
Pi-Lone Pair
Pi-Sigma 1 2 1
Pi-Sulfur 1 1 1
Pi-Pi Stacked 4 2 2 4
Amide-Pi Stacked
Pi-Pi T-shaped
Pi Donor H Bond 2
Pi Donor H Bond;Pi-
Sulfur
Pi Cation; Pi Donor H
Bond
Salt Bridge;AC
Sulfur-X
UB
UB;CH bond
UB;H bond
UB; Salt Bridge
UDD 1
UAA
UPP 1 1
UNN
Grand Total 19 26 26 23 23
 AVP0583

:ARG105:HH12 -Yes 0 255 0 Ligand Non 1.847 Hydrogen Bond Conventional Hydr
:ARG105:HH21 -Yes 0 255 0 Ligand Non 2.180 Hydrogen Bond Conventional Hydr
:ARG105:HH22 -Yes 0 255 0 Ligand Non 1.828 Hydrogen Bond Conventional Hydr
:ARG107:HE - :V Yes 0 255 0 Ligand Non 2.604 Hydrogen Bond Conventional Hydr
:ARG107:HH11 -Yes 0 255 0 Ligand Non 1.723 Hydrogen Bond Conventional Hydr
:ARG107:HH12 - Yes 0 255 0 Ligand Non 1.756 Hydrogen Bond Conventional Hydr
:TRP2:HD1 - :MEYes 220 255 22Ligand Non 2.669 Hydrogen Bond Carbon Hydrogen
:CYS33:SG - :TRPYes 220 255 22Ligand Non 3.771 Hydrogen Bond Pi-Donor Hydrogen
:CYS33:SG - :TRPYes 220 255 22Ligand Non 3.679 Hydrogen Bond Pi-Donor Hydrogen
:CYS11:SG - :PH Yes 255 200 0 Ligand Non 3.487 Other Pi-Sulfur
:TRP20 - :TRP2 Yes 255 100 20Ligand Non 3.744 Hydrophobic Pi-Pi Stacked
:TRP20 - :TRP2 Yes 255 100 20Ligand Non 3.506 Hydrophobic Pi-Pi Stacked
:TRP20 - :TRP2 Yes 255 100 20Ligand Non 4.012 Hydrophobic Pi-Pi Stacked
:TRP2 - :TRP20 Yes 255 100 20Ligand Non 4.613 Hydrophobic Pi-Pi Stacked
:LEU29 - :LEU3 Yes 255 200 25Ligand Non 5.279 Hydrophobic Alkyl
:LEU34 - :ILE10 Yes 255 200 25Ligand Non 4.787 Hydrophobic Alkyl
:ILE97 - :ILE10 Yes 255 200 25Ligand Non 5.335 Hydrophobic Alkyl
:ARG107 - :VAL1Yes 255 200 25Ligand Non 4.391 Hydrophobic Alkyl
:TRP2 - :LEU29 Yes 255 200 25Ligand Non 4.680 Hydrophobic Pi-Alkyl

AVP0584

:SER4:HG - :ASP Yes 0 255 0 Ligand Non 2.002 Hydrogen Bond Conventional Hydr
:ARG107:HE - :S Yes 0 255 0 Ligand Non 1.976 Hydrogen Bond Conventional Hydr
:ARG107:HH11 - Yes 0 255 0 Ligand Non 1.747 Hydrogen Bond Conventional Hydr
:ARG4:HH11 - :S Yes 0 255 0 Ligand Non 1.748 Hydrogen Bond Conventional Hydr
:ARG4:HH21 - :S Yes 0 255 0 Ligand Non 2.937 Hydrogen Bond Conventional Hydr
:ARG4:HH21 - :S Yes 0 255 0 Ligand Non 1.809 Hydrogen Bond Conventional Hydr
:CYS11:HG - :MEYes 0 255 0 Ligand Non 2.993 Hydrogen Bond Conventional Hydr
:LYS18:HZ2 - :A Yes 0 255 0 Ligand Non 1.681 Hydrogen Bond Conventional Hydr
:LYS18:HZ3 - :G Yes 0 255 0 Ligand Non 1.633 Hydrogen Bond Conventional Hydr
:LYS18:HZ3 - :G Yes 0 255 0 Ligand Non 2.922 Hydrogen Bond Conventional Hydr
:LEU29:HD11 - : Yes 200 100 25Ligand Non 2.704 Hydrophobic Pi-Sigma
:PHE37 - :TRP9 Yes 255 100 20Ligand Non 4.038 Hydrophobic Pi-Pi Stacked
:TRP9 - :PHE37 Yes 255 100 20Ligand Non 4.975 Hydrophobic Pi-Pi Stacked
:ALA2 - :CYS11 Yes 255 200 25Ligand Non 3.548 Hydrophobic Alkyl
:LEU29 - :LEU14 Yes 255 200 25Ligand Non 4.223 Hydrophobic Alkyl
:CYS33 - :VAL13 Yes 255 200 25Ligand Non 4.552 Hydrophobic Alkyl
:LEU34 - :ILE6 Yes 255 200 25Ligand Non 5.484 Hydrophobic Alkyl
:TRP20 - :LEU14 Yes 255 200 25Ligand Non 3.868 Hydrophobic Pi-Alkyl
:TRP20 - :LEU14 Yes 255 200 25Ligand Non 4.023 Hydrophobic Pi-Alkyl
:TRP20 - :LYS18 Yes 255 200 25Ligand Non 4.906 Hydrophobic Pi-Alkyl
:HIS125 - :ILE10 Yes 255 200 25Ligand Non 4.393 Hydrophobic Pi-Alkyl
:TRP2 - :LEU102 Yes 255 200 25Ligand Non 5.320 Hydrophobic Pi-Alkyl
:TRP7 - :ILE128 Yes 255 200 25Ligand Non 4.517 Hydrophobic Pi-Alkyl
:TRP7 - :ILE128 Yes 255 200 25Ligand Non 4.889 Hydrophobic Pi-Alkyl
:TRP9 - :CYS33 Yes 255 200 25Ligand Non 5.353 Hydrophobic Pi-Alkyl
:ARG107:NH1 - :Yes 255 10 0 Ligand Non 3.829 Unfavorable Unfavorable Positiv

AVP0587

:ARG107:HE - :GYes 0 255 0 Ligand Non 3.030 Hydrogen Bond Conventional Hydr
:ARG107:HE - :S Yes 0 255 0 Ligand Non 2.486 Hydrogen Bond Conventional Hydr
:ARG107:HH11 - Yes 0 255 0 Ligand Non 1.722 Hydrogen Bond Conventional Hydr
:ARG6:HH12 - :S Yes 0 255 0 Ligand Non 2.294 Hydrogen Bond Conventional Hydr
:TRP9:HE1 - :AL Yes 0 255 0 Ligand Non 2.859 Hydrogen Bond Conventional Hydr
:LYS20:HZ2 - :A Yes 0 255 0 Ligand Non 1.774 Hydrogen Bond Conventional Hydr
:LYS20:HZ3 - :G Yes 0 255 0 Ligand Non 1.990 Hydrogen Bond Conventional Hydr
:LYS20:HZ3 - :G Yes 0 255 0 Ligand Non 1.794 Hydrogen Bond Conventional Hydr
:SER1:N - :TRP11Yes 255 150 0 Ligand Non 4.546 Electrostatic Pi-Cation
:ALA2 - :CYS13 Yes 255 200 25Ligand Non 4.048 Hydrophobic Alkyl
:LEU29 - :LEU16 Yes 255 200 25Ligand Non 5.457 Hydrophobic Alkyl
:CYS33 - :VAL15 Yes 255 200 25Ligand Non 4.476 Hydrophobic Alkyl
:ARG107 - :LEU5Yes 255 200 25Ligand Non 4.716 Hydrophobic Alkyl
:TRP20 - :LEU16 Yes 255 200 25Ligand Non 4.012 Hydrophobic Pi-Alkyl
:TRP20 - :LEU16 Yes 255 200 25Ligand Non 4.127 Hydrophobic Pi-Alkyl
:TRP20 - :LYS20 Yes 255 200 25Ligand Non 4.913 Hydrophobic Pi-Alkyl
:PHE37 - :ILE8 Yes 255 200 25Ligand Non 5.308 Hydrophobic Pi-Alkyl
:TRP4 - :ARG107Yes 255 200 25Ligand Non 5.354 Hydrophobic Pi-Alkyl
:TRP4 - :ILE97 Yes 255 200 25Ligand Non 5.353 Hydrophobic Pi-Alkyl
:TRP4 - :ARG107Yes 255 200 25Ligand Non 4.856 Hydrophobic Pi-Alkyl
:TRP9 - :ALA2 Yes 255 200 25Ligand Non 5.112 Hydrophobic Pi-Alkyl
:TRP9 - :ILE8 Yes 255 200 25Ligand Non 5.305 Hydrophobic Pi-Alkyl
:TRP9 - :ILE128 Yes 255 200 25Ligand Non 4.446 Hydrophobic Pi-Alkyl
:PHE19 - :LEU29 Yes 255 200 25Ligand Non 5.366 Hydrophobic Pi-Alkyl
:ARG107:NH2 - :Yes 255 10 0 Ligand Non 4.627 Unfavorable Unfavorable Positiv
:ARG107:HE - :L Yes 255 10 0 Ligand Non 2.158 Unfavorable Unfavorable Dono

AVP0588

:SER4:HG - :ASP Yes 0 255 0 Ligand Non 1.873 Hydrogen Bond Conventional Hydr
:ARG107:HE - :T Yes 0 255 0 Ligand Non 1.872 Hydrogen Bond Conventional Hydr
:ARG5:HH12 - :S Yes 0 255 0 Ligand Non 2.505 Hydrogen Bond Conventional Hydr
:TRP8:HE1 - :GL Yes 0 255 0 Ligand Non 2.607 Hydrogen Bond Conventional Hydr
:LYS19:HZ2 - :A Yes 0 255 0 Ligand Non 1.713 Hydrogen Bond Conventional Hydr
:LYS19:HZ3 - :G Yes 0 255 0 Ligand Non 1.750 Hydrogen Bond Conventional Hydr
:LYS19:HZ3 - :G Yes 0 255 0 Ligand Non 2.376 Hydrogen Bond Conventional Hydr
:ARG107:HD1 - :Yes 220 255 22Ligand Non 3.060 Hydrogen Bond Carbon Hydrogen
:ARG5:HD1 - :SE Yes 220 255 22Ligand Non 2.772 Hydrogen Bond Carbon Hydrogen
:LEU15:HB2 - :T Yes 200 100 25Ligand Non 2.767 Hydrophobic Pi-Sigma
:LEU15:HD23 - : Yes 200 100 25Ligand Non 2.767 Hydrophobic Pi-Sigma
:CYS33:SG - :TRPYes 255 200 0 Ligand Non 5.262 Other Pi-Sulfur
:PHE37 - :TRP10 Yes 255 100 20Ligand Non 4.036 Hydrophobic Pi-Pi Stacked
:TRP10 - :PHE37 Yes 255 100 20Ligand Non 5.484 Hydrophobic Pi-Pi Stacked
:ALA2 - :CYS12 Yes 255 200 25Ligand Non 3.988 Hydrophobic Alkyl
:CYS33 - :VAL14 Yes 255 200 25Ligand Non 4.284 Hydrophobic Alkyl
:ARG107 - :LEU4Yes 255 200 25Ligand Non 5.198 Hydrophobic Alkyl
:TRP20 - :LYS19 Yes 255 200 25Ligand Non 4.916 Hydrophobic Pi-Alkyl
:HIS125 - :ILE11 Yes 255 200 25Ligand Non 5.396 Hydrophobic Pi-Alkyl
:TRP8 - :ILE128 Yes 255 200 25Ligand Non 4.044 Hydrophobic Pi-Alkyl
:TRP8 - :LEU16 Yes 255 200 25Ligand Non 5.145 Hydrophobic Pi-Alkyl
:TRP8 - :ILE128 Yes 255 200 25Ligand Non 4.767 Hydrophobic Pi-Alkyl
:PHE18 - :ILE32 Yes 255 200 25Ligand Non 5.285 Hydrophobic Pi-Alkyl

AVP0590

:ARG107:NH1 - Yes 255 150 0 Ligand Non 2.824 Electrostatic Attractive Charge
:ARG107:NH2 - Yes 255 150 0 Ligand Non 4.563 Electrostatic Attractive Charge
:TRP2:HE1 - :TH Yes 0 255 0 Ligand Non 1.946 Hydrogen Bond Conventional Hydr
:LYS18:HZ1 - :M Yes 0 255 0 Ligand Non 1.707 Hydrogen Bond Conventional Hydr
:GLU12:OE2 - :P Yes 255 150 0 Ligand Non 3.958 Electrostatic Pi-Anion
:LEU29:HD12 - : Yes 200 100 25Ligand Non 2.941 Hydrophobic Pi-Sigma
:MET109:SD - :T Yes 255 200 0 Ligand Non 5.671 Other Pi-Sulfur
:TRP20 - :PHE17 Yes 255 100 20Ligand Non 4.672 Hydrophobic Pi-Pi Stacked
:TRP20 - :PHE17 Yes 255 100 20Ligand Non 4.091 Hydrophobic Pi-Pi Stacked
:TRP110 - :TRP2 Yes 255 100 20Ligand Non 4.416 Hydrophobic Pi-Pi Stacked
:TRP110 - :TRP2 Yes 255 100 20Ligand Non 4.584 Hydrophobic Pi-Pi Stacked
:ALA2 - :CYS11 Yes 255 200 25Ligand Non 4.416 Hydrophobic Alkyl
:ILE128 - :ILE10 Yes 255 200 25Ligand Non 5.144 Hydrophobic Alkyl
:TRP20 - :LEU14 Yes 255 200 25Ligand Non 4.350 Hydrophobic Pi-Alkyl
:TRP20 - :LEU14 Yes 255 200 25Ligand Non 5.390 Hydrophobic Pi-Alkyl
:TRP20 - :LYS18 Yes 255 200 25Ligand Non 5.428 Hydrophobic Pi-Alkyl
:HIS125 - :VAL13Yes 255 200 25Ligand Non 5.206 Hydrophobic Pi-Alkyl
:TRP2 - :ARG107Yes 255 200 25Ligand Non 5.076 Hydrophobic Pi-Alkyl
:TRP2 - :MET109Yes 255 200 25Ligand Non 4.677 Hydrophobic Pi-Alkyl
:TRP2 - :ARG107Yes 255 200 25Ligand Non 5.298 Hydrophobic Pi-Alkyl
:TRP9 - :LEU34 Yes 255 200 25Ligand Non 4.943 Hydrophobic Pi-Alkyl
:TRP9 - :LEU34 Yes 255 200 25Ligand Non 4.792 Hydrophobic Pi-Alkyl
:TRP20 - :LEU29 Yes 255 200 25Ligand Non 5.122 Hydrophobic Pi-Alkyl
:ARG105:HH12 H-Donor :SER15:OG H-Acceptor 143.359
:ARG105:HH21 H-Donor :LEU14:O H-Acceptor 105.438
:ARG105:HH22 H-Donor :SER15:OG H-Acceptor 141.838
:ARG107:HE H-Donor :VAL13:O H-Acceptor 91.029
:ARG107:HH11 H-Donor :ASP16:O H-Acceptor 150.46
:ARG107:HH12 H-Donor :SER15:O H-Acceptor 141.083
:TRP2:HD1 H-Donor :MET1:O H-Acceptor 100.587
:CYS33:SG H-Donor :TRP7 Pi-Orbitals
:CYS33:SG H-Donor :TRP7 Pi-Orbitals
:CYS11:SG Sulfur :PHE37 Pi-Orbitals
:TRP20 Pi-Orbitals :TRP2 Pi-Orbitals
:TRP20 Pi-Orbitals :TRP2 Pi-Orbitals
:TRP20 Pi-Orbitals :TRP2 Pi-Orbitals
:TRP2 Pi-Orbitals :TRP20 Pi-Orbitals
:LEU29 Alkyl :LEU3 Alkyl
:LEU34 Alkyl :ILE10 Alkyl
:ILE97 Alkyl :ILE10 Alkyl
:ARG107 Alkyl :VAL13 Alkyl
:TRP2 Pi-Orbitals :LEU29 Alkyl

:SER4:HG H-Donor :ASP8:OD1 H-Acceptor 138.644

:ARG107:HE H-Donor :SER1:O H-Acceptor 140.272
:ARG107:HH11 H-Donor :SER1:O H-Acceptor 149.717
:ARG4:HH11 H-Donor :SER4:O H-Acceptor 168.501
:ARG4:HH21 H-Donor :SER4:O H-Acceptor 120.06
:ARG4:HH21 H-Donor :SER4:OG H-Acceptor 131.216
:CYS11:HG H-Donor :MET1:O H-Acceptor 93.435
:LYS18:HZ2 H-Donor :ASN21:OD1 H-Acceptor 166.191
:LYS18:HZ3 H-Donor :GLN19:O H-Acceptor 147.222
:LYS18:HZ3 H-Donor :GLN19:OE1 H-Acceptor 137.536
:LEU29:HD11 C-H :PHE17 Pi-Orbitals
:PHE37 Pi-Orbitals :TRP9 Pi-Orbitals
:TRP9 Pi-Orbitals :PHE37 Pi-Orbitals
:ALA2 Alkyl :CYS11 Alkyl
:LEU29 Alkyl :LEU14 Alkyl
:CYS33 Alkyl :VAL13 Alkyl
:LEU34 Alkyl :ILE6 Alkyl
:TRP20 Pi-Orbitals :LEU14 Alkyl
:TRP20 Pi-Orbitals :LEU14 Alkyl
:TRP20 Pi-Orbitals :LYS18 Alkyl
:HIS125 Pi-Orbitals :ILE10 Alkyl
:TRP2 Pi-Orbitals :LEU102 Alkyl
:TRP7 Pi-Orbitals :ILE128 Alkyl
:TRP7 Pi-Orbitals :ILE128 Alkyl
:TRP9 Pi-Orbitals :CYS33 Alkyl
:ARG107:NH1 Positive :SER1:N Positive

:ARG107:HE H-Donor :GLY2:O H-Acceptor 116.676

:ARG107:HE H-Donor :SER3:O H-Acceptor 174.718
:ARG107:HH11 H-Donor :GLY2:O H-Acceptor 145.63
:ARG6:HH12 H-Donor :SER4:O H-Acceptor 125.446
:TRP9:HE1 H-Donor :ALA2:O H-Acceptor 128.583
:LYS20:HZ2 H-Donor :ASN21:OD1 H-Acceptor 150.158
:LYS20:HZ3 H-Donor :GLN19:O H-Acceptor 103.215
:LYS20:HZ3 H-Donor :GLN19:OE1 H-Acceptor 152.194
:SER1:N Positive :TRP110 Pi-Orbitals
:ALA2 Alkyl :CYS13 Alkyl
:LEU29 Alkyl :LEU16 Alkyl
:CYS33 Alkyl :VAL15 Alkyl
:ARG107 Alkyl :LEU5 Alkyl
:TRP20 Pi-Orbitals :LEU16 Alkyl
:TRP20 Pi-Orbitals :LEU16 Alkyl
:TRP20 Pi-Orbitals :LYS20 Alkyl
:PHE37 Pi-Orbitals :ILE8 Alkyl
:TRP4 Pi-Orbitals :ARG107 Alkyl
:TRP4 Pi-Orbitals :ILE97 Alkyl
:TRP4 Pi-Orbitals :ARG107 Alkyl
:TRP9 Pi-Orbitals :ALA2 Alkyl
:TRP9 Pi-Orbitals :ILE8 Alkyl
:TRP9 Pi-Orbitals :ILE128 Alkyl
:PHE19 Pi-Orbitals :LEU29 Alkyl
:ARG107:NH2 Positive :SER1:N Positive
:ARG107:HE H-Donor :LEU5:HN H-Donor 136.695

:SER4:HG H-Donor :ASP9:OD1 H-Acceptor 140.645

:ARG107:HE H-Donor :TRP3:O H-Acceptor 138.314
:ARG5:HH12 H-Donor :SER4:O H-Acceptor 113.966
:TRP8:HE1 H-Donor :GLY126:O H-Acceptor 136.729
:LYS19:HZ2 H-Donor :ASN21:OD1 H-Acceptor 154.346
:LYS19:HZ3 H-Donor :GLN19:O H-Acceptor 125.99
:LYS19:HZ3 H-Donor :GLN19:OE1 H-Acceptor 139.398
:ARG107:HD1 H-Donor :TRP3:O H-Acceptor 94.499
:ARG5:HD1 H-Donor :SER4:O H-Acceptor 117.504
:LEU15:HB2 C-H :TRP20 Pi-Orbitals
:LEU15:HD23 C-H :TRP20 Pi-Orbitals
:CYS33:SG Sulfur :TRP10 Pi-Orbitals
:PHE37 Pi-Orbitals :TRP10 Pi-Orbitals
:TRP10 Pi-Orbitals :PHE37 Pi-Orbitals
:ALA2 Alkyl :CYS12 Alkyl
:CYS33 Alkyl :VAL14 Alkyl
:ARG107 Alkyl :LEU4 Alkyl
:TRP20 Pi-Orbitals :LYS19 Alkyl
:HIS125 Pi-Orbitals :ILE11 Alkyl
:TRP8 Pi-Orbitals :ILE128 Alkyl
:TRP8 Pi-Orbitals :LEU16 Alkyl
:TRP8 Pi-Orbitals :ILE128 Alkyl
:PHE18 Pi-Orbitals :ILE32 Alkyl

:ARG107:NH1 Positive :ASP5:OD1 Negative

:ARG107:NH2 Positive :ASP5:OD2 Negative
:TRP2:HE1 H-Donor :THR106:O H-Acceptor 134.474
:LYS18:HZ1 H-Donor :MET1:O H-Acceptor 173.549
:GLU12:OE2 Negative :PHE37 Pi-Orbitals
:LEU29:HD12 C-H :PHE17 Pi-Orbitals
:MET109:SD Sulfur :TRP2 Pi-Orbitals
:TRP20 Pi-Orbitals :PHE17 Pi-Orbitals
:TRP20 Pi-Orbitals :PHE17 Pi-Orbitals
:TRP110 Pi-Orbitals :TRP2 Pi-Orbitals
:TRP110 Pi-Orbitals :TRP2 Pi-Orbitals
:ALA2 Alkyl :CYS11 Alkyl
:ILE128 Alkyl :ILE10 Alkyl
:TRP20 Pi-Orbitals :LEU14 Alkyl
:TRP20 Pi-Orbitals :LEU14 Alkyl
:TRP20 Pi-Orbitals :LYS18 Alkyl
:HIS125 Pi-Orbitals :VAL13 Alkyl
:TRP2 Pi-Orbitals :ARG107 Alkyl
:TRP2 Pi-Orbitals :MET109 Alkyl
:TRP2 Pi-Orbitals :ARG107 Alkyl
:TRP9 Pi-Orbitals :LEU34 Alkyl
:TRP9 Pi-Orbitals :LEU34 Alkyl
:TRP20 Pi-Orbitals :LEU29 Alkyl
111.197
119.597
105.843
121.273
131.573
120.355
140.721
30.059
27.723
20.645
34.86 22.886 12.27 3.343
3.924 11.026 11.269 3.343
29.352 30.024 11.016 3.347
40.845 48.121 12.018 3.347

159.458
149.42
129.925
146.929
93.303
98.927
132.508
157
158.506
143.736
15.447 22.931
6.368 22.208 23.779 3.463
41.836 19.788 24.484 4.214
115.655
126.623
162.985
120.452
104.899
160.315
130.404
166.265
36.952

169.392
134.327
98.86
125.458
151.783
140.563
158.851
91.371
134.455
5.952 28.696
12.555 10.544
75.264
5.221 30.444 27.295 3.41
51.641 24.423 28.579 4.499

177.055
120.998
37.417
18.693 16.931
74.167
46.944 37.799 20.034 3.572
38.514 19.675 19.965 3.56
25.066 37.651 26.552 3.481
28.975 54.736 26.613 3.481